2-chloro-6-[2-[(dimethylamino)methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylpyridine-3-carboxamide

C19H29ClN4O — CID 166750593

IUPAC2-chloro-6-[2-[(dimethylamino)methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)CC1CC2(CCN(c3ccc(C(=O)N(C)C)c(Cl)n3)CC2)C1
InChIInChI=1S/C19H29ClN4O/c1-22(2)13-14-11-19(12-14)7-9-24(10-8-19)16-6-5-15(17(20)21-16)18(25)23(3)4/h5-6,14H,7-13H2,1-4H3
InChIKeyCBXUZPTZTZTKJV-UHFFFAOYSA-N
MW364.92 g/mol
LogP2.99
Rot. Bonds4

About 2-chloro-6-[2-[(dimethylamino)methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylpyridine-3-carboxamide

2-chloro-6-[2-[(dimethylamino)methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 166750593) has the molecular formula C19H29ClN4O and a molecular weight of 364.92 g/mol. Its IUPAC name is 2-chloro-6-[2-[(dimethylamino)methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-6-[2-[(dimethylamino)methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID166750593
Molecular FormulaC19H29ClN4O
Molecular Weight364.92 g/mol
Exact Mass364.20
IUPAC Name2-chloro-6-[2-[(dimethylamino)methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)CC1CC2(CCN(c3ccc(C(=O)N(C)C)c(Cl)n3)CC2)C1
InChIInChI=1S/C19H29ClN4O/c1-22(2)13-14-11-19(12-14)7-9-24(10-8-19)16-6-5-15(17(20)21-16)18(25)23(3)4/h5-6,14H,7-13H2,1-4H3
InChIKeyCBXUZPTZTZTKJV-UHFFFAOYSA-N
XLogP2.99
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-6-[2-[(dimethylamino)methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-[4-(3-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;ethane
CID 142321263
2-chloro-N,N-dimethyl-6-[4-[3-[(1-phenylcyclopentanecarbonyl)amino]propyl]piperidin-1-yl]pyridine-3-carboxamide
CID 134437536
2-chloro-6-[4-[1-(2,2-difluoro-3-hydroxy-4-methylphosphetane-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 145309790
2-chloro-6-[4-[1-[2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 129146150
2-chloro-N,N-dimethyl-6-[4-[[1-[3,3,3-trifluoro-2-(3-fluoro-5-methylphenyl)-2-hydroxypropanoyl]piperidin-4-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 155263147
2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide
CID 146316190
benzyl 2-[3-[6-chloro-5-(dimethylcarbamoyl)-2-pyridinyl]propyl]-7-azaspiro[3.5]nonane-7-carboxylate
CID 158773739
2-chloro-6-[4-[3-[[(2S)-2-ethyloxolane-2-carbonyl]-methylamino]propyl]-4-methylpiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 166750695
2-chloro-6-[4-[3-[[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-methylamino]propyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 134439277
2-chloro-6-[4-fluoro-4-[3-[methyl-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]amino]propyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 146316158
2-chloro-6-[4-fluoro-4-[3-[methyl-(3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl)amino]propyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 146316159
2-chloro-6-[4-[3-[[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]amino]propyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 142321356

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-[(dimethylamino)methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-6-[2-[(dimethylamino)methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylpyridine-3-carboxamide (CID 166750593) is 2-chloro-6-[2-[(dimethylamino)methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-6-[2-[(dimethylamino)methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-6-[2-[(dimethylamino)methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylpyridine-3-carboxamide is CN(C)CC1CC2(CCN(c3ccc(C(=O)N(C)C)c(Cl)n3)CC2)C1.
What is the InChIKey of 2-chloro-6-[2-[(dimethylamino)methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is CBXUZPTZTZTKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4O/c1-22(2)13-14-11-19(12-14)7-9-24(10-8-19)16-6-5-15(17(20)21-16)18(25)23(3)4/h5-6,14H,7-13H2,1-4H3.
What are the key properties of 2-chloro-6-[2-[(dimethylamino)methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylpyridine-3-carboxamide?
2-chloro-6-[2-[(dimethylamino)methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 364.92 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-[(dimethylamino)methyl]-7-azaspiro[3.5]nonan-7-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 166750593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).